6,7-dimethyl-4-[(2-methylphenyl)methylsulfanylmethyl]chromen-2-one

Systemtic Name: 6,7-dimethyl-4-[(2-methylphenyl)methylsulfanylmethyl]chromen-2-one Openeye Name: 6,7-dimethyl-4-(o-tolylmethylsulfanylmethyl)chromen-2-one CAS Name: 6,7-dimethyl-4-[[(2-methylphenyl)methylthio]methyl]-1-benzopyran-2-one IUPAC Name: 6,7-dimethyl-4-[(2-methylphenyl)methylsulfanylmethyl]chromen-2-one Traditional Name: 6,7-dimethyl-4-[[(2-methylbenzyl)thio]methyl]coumarin Formula: C20H20O2S MolecularWeight: 324.4366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSCC2=CC(=O)OC3=CC(=C(C=C23)C)C

Isomeric SMILES

CC1=CC=CC=C1CSCC2=CC(=O)OC3=CC(=C(C=C23)C)C

InChI

InChI=1S/C20H20O2S/c1-13-6-4-5-7-16(13)11-23-12-17-10-20(21)22-19-9-15(3)14(2)8-18(17)19/h4-10H,11-12H2,1-3H3